1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-propylpyrimidin-5-yl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-propyl-5-pyrimidinyl)methyl]-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-propylpyrimidin-5-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2-propylpyrimidin-5-yl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

Isomeric SMILES

CCCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

InChI

InChI=1S/C23H27N5OS/c1-2-4-22-24-12-17(13-25-22)14-28-9-7-18(8-10-28)23(29)27-20-6-3-5-19(11-20)21-15-30-16-26-21/h3,5-6,11-13,15-16,18H,2,4,7-10,14H2,1H3,(H,27,29)/p+1